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betulin
A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents.


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03. Biological Effects of Specific Chemicals: pharmacological uses [CHEBI:52210] > analgesic [CHEBI:35480]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 metabolite [CHEBI:25212] (2692) 
 secondary metabolite [CHEBI:26619] (2225) 
 betulin [CHEBI:3086] (1)
 pharmacological uses [CHEBI:52210] (736) 
 analgesic [CHEBI:35480] (114) 
 betulin [CHEBI:3086] (1)
 antimicrobial agent [CHEBI:33281] (927) 
 antiviral agent [CHEBI:22587] (216) 
 betulin [CHEBI:3086] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antineoplastic agent [CHEBI:35610] (760) 
 betulin [CHEBI:3086] (1)
 anti-inflammatory agent [CHEBI:67079] (79) 
 betulin [CHEBI:3086] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 s-block molecular entity [CHEBI:33674] (7287) 
 hydrogen molecular entity [CHEBI:33608] (6932) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 polyol [CHEBI:26191] (437) 
 diol [CHEBI:23824] (172) 
 betulin [CHEBI:3086] (1)
 p-block molecular entity [CHEBI:33675] (25343) 
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 polyol [CHEBI:26191] (437) 
 diol [CHEBI:23824] (172) 
 betulin [CHEBI:3086] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 lipid [CHEBI:18059] (3532) 
 isoprenoid [CHEBI:24913] (1402) 
 terpenoid [CHEBI:26873] (1099) 
 triterpenoid [CHEBI:36615] (228) 
 pentacyclic triterpenoid [CHEBI:25872] (112) 
 betulin [CHEBI:3086] (1)
 isoprenoid [CHEBI:24913] (1402) 
 terpenoid [CHEBI:26873] (1099) 
 triterpenoid [CHEBI:36615] (228) 
 pentacyclic triterpenoid [CHEBI:25872] (112) 
 betulin [CHEBI:3086] (1)
 organic hydroxy compound [CHEBI:33822] (3050) 
 polyol [CHEBI:26191] (437) 
 diol [CHEBI:23824] (172) 
 betulin [CHEBI:3086] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 pentacyclic triterpenoid [CHEBI:25872] (112) 
 betulin [CHEBI:3086] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 cyclic compound [CHEBI:33595] (7817) 
 polycyclic compound [CHEBI:33635] (4078) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 pentacyclic triterpenoid [CHEBI:25872] (112) 
 betulin [CHEBI:3086] (1)
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 pentacyclic triterpenoid [CHEBI:25872] (112) 
 betulin [CHEBI:3086] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 pentacyclic triterpenoid [CHEBI:25872] (112) 
 betulin [CHEBI:3086] (1)
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 polyol [CHEBI:26191] (437) 
 diol [CHEBI:23824] (172) 
 betulin [CHEBI:3086] (1)
ChEBI Compound Accession Identifier  [CHEBI:3086]
ChEBI Compound Description  A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents.
ChEBI Compound Identification Number  3086
ChEBI InChI Value  InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
ChEBI InChIKey Value  FVWJYYTZTCVBKE-ROUWMTJPSA-N
ChEBI Compound Name  betulin
ChEBI SMILES Value  [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(CO)CC[C@@H](C(C)=C)[C@]21[H]
ChEBI Substance ID  160962746
ChEBI URL  ChEBI:3086
ChemSpider ID  65272
Ontomatica Chemical Accession Key (OnChAKey)  FVWJYYTZTCVBKE_ROUWMTJPSA_N_000_000000
PubChem Compound ID  72326